AMBER Archive (2004)

Subject: Re: AMBER: MD for protein-carbohydrate complex

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Apr 22 2004 - 15:03:54 CDT

> or do I load each molecule separately and save it into different top file

Whole system needs to be in single top file. Make sure your pdb
has TER cards between molecules that aren't covalently bonded
in a chain. Add any cross-links per leap examples in docs.

Bill
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